5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine

C10H8ClN5 — CID 135804671

IUPAC5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1-c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C10H8ClN5/c11-5-1-2-7-8(3-5)15-10(14-7)9-6(12)4-13-16-9/h1-4H,12H2,(H,13,16)(H,14,15)
InChIKeyMTONPOONCKNDFC-UHFFFAOYSA-N
MW233.66 g/mol
LogP2.19
Rot. Bonds1

About 5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine

5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine (PubChem CID 135804671) has the molecular formula C10H8ClN5 and a molecular weight of 233.66 g/mol. Its IUPAC name is 5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine
PubChem CID135804671
Molecular FormulaC10H8ClN5
Molecular Weight233.66 g/mol
Exact Mass233.05
IUPAC Name5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1-c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C10H8ClN5/c11-5-1-2-7-8(3-5)15-10(14-7)9-6(12)4-13-16-9/h1-4H,12H2,(H,13,16)(H,14,15)
InChIKeyMTONPOONCKNDFC-UHFFFAOYSA-N
XLogP2.19
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(6-tert-butyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine
CID 155678873
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CID 64722696
6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole
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6-chloro-2-(5-fluoro-3-pyridinyl)-1H-benzimidazole
CID 104786095
5-(5-chloro-1-benzothiophen-2-yl)-1H-pyrazol-4-amine
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5-chloro-2-(6-methylsulfonyl-1H-benzimidazol-2-yl)aniline
CID 62069000
5-(6-chloro-1-benzofuran-2-yl)-1H-pyrazol-4-amine
CID 115109572
3-(6-chloro-1H-benzimidazol-2-yl)quinoline
CID 141307841
6-chloro-2-(furan-2-yl)-1H-benzimidazole
CID 5056728
4-(6-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol
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3-(6-chloro-1H-benzimidazol-2-yl)-5-ethylthiophen-2-amine
CID 63614668

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine?
The IUPAC name of 5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine (CID 135804671) is 5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine.
What is the SMILES notation for 5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine?
The canonical SMILES for 5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine is Nc1cn[nH]c1-c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine?
The InChIKey is MTONPOONCKNDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5/c11-5-1-2-7-8(3-5)15-10(14-7)9-6(12)4-13-16-9/h1-4H,12H2,(H,13,16)(H,14,15).
What are the key properties of 5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine?
5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine has a molecular weight of 233.66 g/mol, XLogP of 2.19, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine is sourced from PubChem (CID 135804671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).